input word = C00033397

Metabolite InformationStructural formula
Name Suffruticoside B
Formula C27H32O16
Mw 612.16903498
CAS RN 145898-95-9
C_ID C00033397 ,
InChIKey IIYNOSFQRKUHOL-MYPFLARBNA-N
InChICode InChI=1S/C27H32O16/c1-11(29)14-4-3-13(38-2)7-17(14)41-25-21(34)20(33)22(43-24(36)12-5-15(30)19(32)16(31)6-12)18(42-25)8-39-26-23(35)27(37,9-28)10-40-26/h3-7,18,20-23,25-26,28,30-35,37H,8-10H2,1-2H3/t18-,20-,21-,22-,23+,25-,26-,27-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@](CO1)(CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)Oc1c(C(=O)C)ccc(c1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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